4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one

C35H28F3N3O5S — CID 171828332

IUPAC4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2c(-c3cc(F)cc(F)c3F)cc3c(-c4cc(=O)n(C)cc4Oc4c(C)cccc4C)cn(C)c(=O)c32)cc1
InChIInChI=1S/C35H28F3N3O5S/c1-19-9-11-23(12-10-19)47(44,45)41-29(26-13-22(36)14-28(37)32(26)38)15-25-27(17-40(5)35(43)33(25)41)24-16-31(42)39(4)18-30(24)46-34-20(2)7-6-8-21(34)3/h6-18H,1-5H3
InChIKeyXVISWRKLKUUEQE-UHFFFAOYSA-N
MW659.69 g/mol
LogP6.74
Rot. Bonds6

About 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one

4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171828332) has the molecular formula C35H28F3N3O5S and a molecular weight of 659.69 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID171828332
Molecular FormulaC35H28F3N3O5S
Molecular Weight659.69 g/mol
Exact Mass659.17
IUPAC Name4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2c(-c3cc(F)cc(F)c3F)cc3c(-c4cc(=O)n(C)cc4Oc4c(C)cccc4C)cn(C)c(=O)c32)cc1
InChIInChI=1S/C35H28F3N3O5S/c1-19-9-11-23(12-10-19)47(44,45)41-29(26-13-22(36)14-28(37)32(26)38)15-25-27(17-40(5)35(43)33(25)41)24-16-31(42)39(4)18-30(24)46-34-20(2)7-6-8-21(34)3/h6-18H,1-5H3
InChIKeyXVISWRKLKUUEQE-UHFFFAOYSA-N
XLogP6.74
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.69
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89657560
4-[2-(2,4-difluorophenoxy)-5-ethylsulfonylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155523560
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzenesulfonamide
CID 71616989
4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89657583
6-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341541
6-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341544
6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341553
N-tert-butyl-4-(2,4-difluorophenoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
CID 139341589
4-(2,4-difluorophenoxy)-N,N-dimethyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
CID 139341818
N-[4-(2,4-difluorophenoxy)-3-[6-methyl-2-(4-methylpiperazine-1-carbonyl)-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 89657558
N-[4-(2,4-difluorophenoxy)-3-[6-methyl-2-[(4-methylpiperazin-1-yl)methyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 89657569
N-[4-(2,4-difluorophenoxy)-3-[2-[3-(dimethylamino)prop-1-ynyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 155516103

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one (CID 171828332) is 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2c(-c3cc(F)cc(F)c3F)cc3c(-c4cc(=O)n(C)cc4Oc4c(C)cccc4C)cn(C)c(=O)c32)cc1.
What is the InChIKey of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is XVISWRKLKUUEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F3N3O5S/c1-19-9-11-23(12-10-19)47(44,45)41-29(26-13-22(36)14-28(37)32(26)38)15-25-27(17-40(5)35(43)33(25)41)24-16-31(42)39(4)18-30(24)46-34-20(2)7-6-8-21(34)3/h6-18H,1-5H3.
What are the key properties of 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one?
4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 659.69 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonyl-2-(2,3,5-trifluorophenyl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171828332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).